#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1dch n ARG 7 N 0.00 0.00 -0.38 1.57 3.00 -1.26 -4.16 116.66 115.42 1dch n ARG 7 Ca 0.00 0.00 -0.15 0.00 -0.00 0.00 0.00 57.85 57.70 1dch n ARG 7 Cb 0.00 -0.63 -0.02 0.00 0.00 0.00 0.00 32.46 31.81 1dch n ARG 7 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.63 178.91 1dch n LEU 8 N 3.37 0.08 -4.90 6.15 4.77 0.56 -4.94 117.00 122.08 1dch n LEU 8 Ca 0.37 0.28 -0.28 0.00 -0.03 0.00 0.00 56.01 56.35 1dch n LEU 8 Cb 0.12 -0.22 0.06 0.00 -2.33 0.00 0.00 43.42 41.04 1dch n LEU 8 CO 0.64 -0.39 0.69 -0.94 -1.33 0.00 0.00 177.39 176.05 1dch s SER 9 N 0.20 5.18 0.16 -1.43 1.04 -1.26 -4.81 113.70 112.78 1dch s SER 9 Ca 0.23 0.85 -0.13 0.00 0.48 0.00 0.00 55.95 57.39 1dch s SER 9 Cb -0.32 -1.61 0.05 0.00 0.10 0.00 0.00 66.02 64.24 1dch s SER 9 CO 0.16 -1.44 1.69 0.00 0.98 0.00 0.00 173.24 174.62 1dch h ALA 10 N -0.62 0.71 -0.93 5.32 0.00 -1.97 0.65 119.26 122.40 1dch h ALA 10 Ca -0.45 -0.19 0.03 0.00 0.00 0.00 0.00 54.91 54.30 1dch h ALA 10 Cb 1.28 -0.21 -0.05 0.00 0.00 0.00 0.00 17.79 18.81 1dch h ALA 10 CO 0.63 0.37 0.61 1.49 0.00 0.00 0.00 179.25 182.35 1dch h GLU 11 N 0.75 1.15 0.00 0.00 4.81 -2.00 -0.98 114.58 118.30 1dch h GLU 11 Ca 0.17 -0.07 0.00 0.00 -0.13 0.00 0.00 59.36 59.33 1dch h GLU 11 Cb 0.28 -0.26 0.00 0.00 0.63 0.00 0.00 28.75 29.40 1dch h GLU 11 CO -0.01 0.76 -0.00 0.93 -0.73 0.00 0.00 179.01 179.96 1dch h GLU 12 N 1.19 0.00 -1.55 1.92 5.08 -1.81 -3.34 114.58 116.06 1dch h GLU 12 Ca 0.37 0.00 0.45 0.00 -1.00 0.00 0.00 59.36 59.18 1dch h GLU 12 Cb -0.01 0.00 -0.07 0.00 0.50 0.00 0.00 28.75 29.17 1dch h GLU 12 CO -0.12 0.00 1.10 0.07 -1.00 0.00 0.00 179.01 179.06 1dch h ARG 13 N -0.53 0.03 0.00 2.33 0.11 0.30 0.86 114.38 117.48 1dch h ARG 13 Ca 0.00 -0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.08 1dch h ARG 13 Cb 0.00 -0.01 0.00 0.00 1.11 0.00 0.00 29.97 31.08 1dch h ARG 13 CO 0.00 0.02 0.00 -0.25 0.10 0.00 0.00 179.97 179.84 1dch n ASP 14 N -4.16 0.00 -0.29 0.08 8.00 -0.38 -1.81 116.55 118.00 1dch n ASP 14 Ca 0.35 0.70 0.34 0.00 0.71 0.00 0.00 54.79 56.90 1dch n ASP 14 Cb 1.59 -0.22 0.69 0.00 -0.02 0.00 0.00 41.12 43.16 1dch n ASP 14 CO 0.00 0.00 0.00 1.56 -0.39 0.00 0.00 177.20 178.37 1dch h GLN 15 N 0.00 0.00 0.03 -1.24 1.08 -1.01 -1.92 115.11 112.06 1dch h GLN 15 Ca 0.00 0.00 -0.00 0.00 -1.45 0.00 0.00 58.65 57.20 1dch h GLN 15 Cb 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.43 1dch h GLN 15 CO 0.00 0.00 -0.02 -0.07 -0.95 0.00 0.00 178.83 177.79 1dch h LEU 16 N 0.00 -0.04 -1.00 1.46 3.38 -1.10 -3.40 115.31 114.61 1dch h LEU 16 Ca 0.55 -0.67 0.23 0.00 0.09 0.00 0.00 57.88 58.09 1dch h LEU 16 Cb 2.52 0.01 -0.19 0.00 0.09 0.00 0.00 40.66 43.09 1dch h LEU 16 CO -0.01 0.73 -0.12 -0.07 0.09 0.00 0.00 178.44 179.06 1dch h LEU 17 N -0.89 -0.73 0.00 1.67 3.38 -0.54 -3.37 115.31 114.83 1dch h LEU 17 Ca -0.00 0.29 0.00 0.00 0.09 0.00 0.00 57.88 58.26 1dch h LEU 17 Cb 0.70 0.56 0.00 0.00 0.09 0.00 0.00 40.66 42.01 1dch h LEU 17 CO 0.01 -0.35 0.00 -0.81 0.09 0.00 0.00 178.44 177.38 1dch n PRO 18 N -5.57 0.00 -0.32 1.13 -0.04 -1.25 -0.12 135.00 128.83 1dch n PRO 18 Ca 0.19 0.18 0.29 0.00 -0.04 0.00 0.00 63.50 64.12 1dch n PRO 18 Cb 0.62 -0.38 0.54 0.00 -0.04 0.00 0.00 33.50 34.25 1dch n PRO 18 CO 0.00 0.00 0.00 -0.91 -0.04 0.00 0.00 175.50 174.55 1dch h ASN 19 N 0.00 0.30 0.08 3.54 4.21 -1.91 3.26 115.58 125.05 1dch h ASN 19 Ca 0.00 0.25 -0.00 0.00 1.21 0.00 0.00 56.30 57.75 1dch h ASN 19 Cb 0.00 0.26 0.00 0.00 -1.12 0.00 0.00 38.32 37.46 1dch h ASN 19 CO 0.00 -0.37 -0.04 -0.07 -1.29 0.00 0.00 177.43 175.66 1dch h LEU 20 N 0.07 -0.10 -0.51 1.61 3.38 -1.66 -1.55 115.31 116.54 1dch h LEU 20 Ca 0.81 -0.17 0.09 0.00 0.09 0.00 0.00 57.88 58.70 1dch h LEU 20 Cb 2.05 0.02 -0.07 0.00 0.09 0.00 0.00 40.66 42.76 1dch h LEU 20 CO -0.75 0.11 0.10 0.03 0.09 0.00 0.00 178.44 178.03 1dch h ARG 21 N -0.31 0.23 -1.10 1.13 3.08 0.76 0.44 114.38 118.62 1dch h ARG 21 Ca -0.01 -0.01 0.30 0.00 0.07 0.00 0.00 59.98 60.33 1dch h ARG 21 Cb 0.26 -0.05 -0.07 0.00 0.08 0.00 0.00 29.97 30.19 1dch h ARG 21 CO 0.02 0.15 0.75 0.00 -1.07 0.00 0.00 179.97 179.83 1dch h ALA 22 N 1.40 2.70 -0.02 0.04 0.00 0.52 -2.53 119.26 121.36 1dch h ALA 22 Ca 0.26 0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.18 1dch h ALA 22 Cb 0.35 0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.21 1dch h ALA 22 CO -0.34 -1.06 -0.22 0.28 0.00 0.00 0.00 179.25 177.91 1dch n VAL 23 N -4.40 0.00 0.00 0.00 0.31 0.15 -4.94 118.33 109.45 1dch n VAL 23 Ca 0.25 -0.39 0.00 0.00 -0.01 0.00 0.00 64.34 64.19 1dch n VAL 23 Cb 1.06 1.39 0.00 0.00 -0.91 0.00 0.00 33.84 35.38 1dch n VAL 23 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1dch n GLY 24 N 1.38 1.41 3.63 2.92 0.00 -0.95 -5.08 105.19 108.49 1dch n GLY 24 Ca 0.12 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.71 1dch n GLY 24 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1dch s TRP 25 N -1.56 2.67 0.21 1.61 0.52 -0.68 -4.71 118.94 116.99 1dch s TRP 25 Ca 0.00 0.87 -0.00 0.00 0.02 0.00 0.00 56.10 56.99 1dch s TRP 25 Cb 0.00 -3.85 -0.04 0.00 -1.15 0.00 0.00 33.47 28.43 1dch s TRP 25 CO 0.00 -1.79 0.39 -0.80 0.02 0.00 0.00 176.95 174.77 1dch s ASN 26 N 2.75 6.37 0.24 2.95 0.01 -1.22 -3.88 114.94 122.17 1dch s ASN 26 Ca 0.57 0.37 -0.23 0.00 -0.71 0.00 0.00 52.86 52.86 1dch s ASN 26 Cb -0.18 -1.99 -0.09 0.00 0.41 0.00 0.00 41.25 39.40 1dch s ASN 26 CO 0.22 -0.05 0.80 -1.61 -1.51 0.00 0.00 177.10 174.95 1dch s GLU 27 N -3.41 4.42 -0.20 -0.60 8.01 -1.26 -1.97 118.70 123.69 1dch s GLU 27 Ca 0.38 1.07 -0.17 0.00 0.01 0.00 0.00 54.97 56.27 1dch s GLU 27 Cb -0.11 -2.94 -0.04 0.00 -4.31 0.00 0.00 34.13 26.74 1dch s GLU 27 CO 0.29 0.40 0.44 -0.51 0.01 0.00 0.00 175.26 175.90 1dch s LEU 28 N -1.82 4.15 -0.30 1.80 1.43 -0.32 -4.92 118.68 118.71 1dch s LEU 28 Ca 0.44 0.57 -0.29 0.00 -1.03 0.00 0.00 54.13 53.82 1dch s LEU 28 Cb -0.19 -2.59 -0.01 0.00 0.03 0.00 0.00 46.19 43.44 1dch s LEU 28 CO 0.23 -0.12 1.57 -0.70 0.23 0.00 0.00 176.35 177.56 1dch s GLU 29 N 1.46 3.66 0.00 1.70 2.12 -1.26 -3.08 118.70 123.30 1dch s GLU 29 Ca 0.21 1.39 0.00 0.00 0.36 0.00 0.00 54.97 56.93 1dch s GLU 29 Cb -0.15 -4.05 0.00 0.00 0.26 0.00 0.00 34.13 30.19 1dch s GLU 29 CO 0.09 -1.46 0.00 0.41 -0.54 0.00 0.00 175.26 173.76 1dch n GLY 30 N 4.88 3.79 3.16 -1.50 0.00 -1.26 -5.06 105.19 109.20 1dch n GLY 30 Ca 0.19 -0.99 -0.08 0.00 0.00 0.00 0.00 46.02 45.13 1dch n GLY 30 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1dch s ARG 31 N 0.00 0.78 -1.20 1.61 1.70 -1.18 -5.06 118.95 115.61 1dch s ARG 31 Ca 0.00 -1.17 -0.20 0.00 -0.47 0.00 0.00 55.73 53.88 1dch s ARG 31 Cb 0.00 0.27 0.02 0.00 -0.57 0.00 0.00 34.95 34.67 1dch s ARG 31 CO 0.00 -0.21 1.76 0.34 -1.08 0.00 0.00 175.30 176.11 1dch s ASP 32 N -2.93 6.22 0.16 -2.89 -1.08 -1.26 -4.28 116.67 110.61 1dch s ASP 32 Ca 0.10 -1.98 -0.09 0.00 -0.52 0.00 0.00 52.55 50.06 1dch s ASP 32 Cb 0.07 -2.58 -0.01 0.00 -1.46 0.00 0.00 42.92 38.94 1dch s ASP 32 CO -0.07 -1.81 0.28 0.00 0.52 0.00 0.00 175.17 174.08 1dch s ALA 33 N 6.45 -0.03 -0.04 3.66 0.00 -1.26 -3.33 121.76 127.21 1dch s ALA 33 Ca 0.57 -0.85 -0.00 0.00 0.00 0.00 0.00 51.96 51.68 1dch s ALA 33 Cb 0.01 0.83 0.03 0.00 0.00 0.00 0.00 23.12 23.99 1dch s ALA 33 CO 0.06 -0.64 0.01 0.96 0.00 0.00 0.00 175.76 176.16 1dch s ILE 34 N -3.96 0.18 0.37 0.00 -4.36 -0.30 -1.17 121.20 111.97 1dch s ILE 34 Ca 0.16 0.16 0.02 0.00 -0.26 0.00 0.00 60.65 60.72 1dch s ILE 34 Cb 0.03 -0.32 0.02 0.00 1.25 0.00 0.00 42.46 43.44 1dch s ILE 34 CO -0.01 0.18 0.15 0.33 0.24 0.00 0.00 174.94 175.83 1dch n PHE 35 N 4.62 -0.06 0.00 1.37 7.35 -0.83 -1.44 117.46 128.47 1dch n PHE 35 Ca -0.17 -1.68 0.00 0.00 -0.76 0.00 0.00 57.45 54.84 1dch n PHE 35 Cb 0.50 -0.28 0.00 0.00 0.35 0.00 0.00 39.48 40.06 1dch n PHE 35 CO 0.00 0.00 0.00 1.17 -0.76 0.00 0.00 176.76 177.17 1dch n LYS 36 N -1.15 0.00 -4.85 -4.13 4.81 -1.15 -3.38 118.16 108.30 1dch n LYS 36 Ca -0.08 0.00 -0.33 0.00 -0.87 0.00 0.00 58.31 57.03 1dch n LYS 36 Cb 0.44 0.00 -0.13 0.00 0.02 0.00 0.00 35.03 35.36 1dch n LYS 36 CO 0.00 0.00 0.00 1.14 1.17 0.00 0.00 177.40 179.71 1dch s GLN 37 N -0.60 2.65 -0.11 1.64 1.03 -1.26 -0.81 119.66 122.21 1dch s GLN 37 Ca 0.00 -0.68 0.02 0.00 0.04 0.00 0.00 55.36 54.74 1dch s GLN 37 Cb 0.00 -2.43 -0.01 0.00 0.03 0.00 0.00 33.01 30.60 1dch s GLN 37 CO 0.00 0.56 -0.18 -0.06 -2.54 0.00 0.00 175.29 173.07 1dch s PHE 38 N -0.57 2.68 -0.47 9.60 0.40 0.16 -4.95 117.98 124.83 1dch s PHE 38 Ca 0.08 -0.82 -0.00 0.00 -0.60 0.00 0.00 56.93 55.59 1dch s PHE 38 Cb -0.11 -1.77 0.12 0.00 0.51 0.00 0.00 43.02 41.77 1dch s PHE 38 CO 0.01 -0.29 0.24 -1.58 0.70 0.00 0.00 175.22 174.30 1dch s HIS 39 N 0.30 3.51 0.05 0.36 5.65 -1.26 0.05 115.29 123.95 1dch s HIS 39 Ca -0.14 -2.76 -0.01 0.00 0.25 0.00 0.00 55.06 52.41 1dch s HIS 39 Cb -0.17 -3.08 0.01 0.00 -1.18 0.00 0.00 32.58 28.16 1dch s HIS 39 CO 0.07 -0.89 0.05 1.19 -0.65 0.00 0.00 174.74 174.50 1dch n PHE 40 N 3.97 -3.22 0.42 3.88 3.01 0.41 -4.93 117.46 120.99 1dch n PHE 40 Ca 0.03 -0.04 0.11 0.00 1.01 0.00 0.00 57.45 58.55 1dch n PHE 40 Cb 0.39 -0.05 -0.11 0.00 -0.01 0.00 0.00 39.48 39.70 1dch n PHE 40 CO 0.00 0.00 0.00 1.17 1.01 0.00 0.00 176.76 178.94 1dch n LYS 41 N -1.54 0.38 -3.88 -1.08 4.81 -1.26 -4.83 118.16 110.76 1dch n LYS 41 Ca 0.01 -0.09 -0.03 0.00 -0.87 0.00 0.00 58.31 57.33 1dch n LYS 41 Cb 0.02 -1.54 0.02 0.00 0.02 0.00 0.00 35.03 33.55 1dch n LYS 41 CO 0.00 0.00 0.00 0.16 1.17 0.00 0.00 177.40 178.73 1dch s ASP 42 N -3.96 -0.01 0.05 3.14 1.47 -1.26 -5.02 116.67 111.08 1dch s ASP 42 Ca -0.01 -0.62 -0.19 0.00 1.18 0.00 0.00 52.55 52.91 1dch s ASP 42 Cb 0.15 0.47 -0.14 0.00 -0.34 0.00 0.00 42.92 43.05 1dch s ASP 42 CO 0.87 -0.93 1.34 0.15 0.68 0.00 0.00 175.17 177.28 1dch h PHE 43 N 2.00 0.50 -0.86 2.11 3.57 -1.96 -1.76 116.94 120.54 1dch h PHE 43 Ca -0.27 -0.16 0.23 0.00 3.53 0.00 0.00 57.97 61.31 1dch h PHE 43 Cb 1.22 -0.10 -0.04 0.00 2.79 0.00 0.00 35.95 39.81 1dch h PHE 43 CO 1.29 0.81 0.60 -0.97 -2.23 0.00 0.00 178.31 177.82 1dch h ASN 44 N 0.04 0.11 0.00 0.41 -0.73 -1.97 0.24 115.58 113.68 1dch h ASN 44 Ca 0.02 0.01 -0.03 0.00 1.87 0.00 0.00 56.30 58.17 1dch h ASN 44 Cb 0.74 -0.01 -0.00 0.00 0.27 0.00 0.00 38.32 39.32 1dch h ASN 44 CO 0.05 0.04 -0.21 0.03 -0.37 0.00 0.00 177.43 176.96 1dch h ARG 45 N 0.10 0.00 -1.00 6.67 3.08 -1.96 0.16 114.38 121.44 1dch h ARG 45 Ca 0.42 0.00 0.22 0.00 0.07 0.00 0.00 59.98 60.69 1dch h ARG 45 Cb 1.50 0.00 -0.10 0.00 0.08 0.00 0.00 29.97 31.45 1dch h ARG 45 CO -0.05 0.67 0.62 0.00 -1.07 0.00 0.00 179.97 180.14 1dch h ALA 46 N -0.40 1.95 0.00 0.04 0.00 -0.10 0.25 119.26 121.00 1dch h ALA 46 Ca -0.05 0.07 -0.22 0.00 0.00 0.00 0.00 54.91 54.71 1dch h ALA 46 Cb 0.75 -0.03 -0.04 0.00 0.00 0.00 0.00 17.79 18.47 1dch h ALA 46 CO -0.03 -0.33 -1.35 0.35 0.00 0.00 0.00 179.25 177.89 1dch h PHE 47 N 0.57 0.00 -0.51 0.00 3.57 -0.73 -2.39 116.94 117.43 1dch h PHE 47 Ca 0.57 0.00 -0.05 0.00 3.53 0.00 0.00 57.97 62.02 1dch h PHE 47 Cb 1.17 0.00 -0.02 0.00 2.79 0.00 0.00 35.95 39.88 1dch h PHE 47 CO -0.00 0.83 0.11 0.78 -2.23 0.00 0.00 178.31 177.79 1dch h GLY 48 N 3.46 0.85 0.63 2.40 0.00 0.88 -2.60 103.07 108.69 1dch h GLY 48 Ca -0.16 -0.49 -0.03 0.00 0.00 0.00 0.00 47.33 46.64 1dch h GLY 48 CO 0.08 0.46 -0.30 -2.75 0.00 0.00 0.00 176.54 174.03 1dch h PHE 49 N 0.76 -0.78 -0.99 5.60 3.57 -0.62 -3.06 116.94 121.41 1dch h PHE 49 Ca 0.17 -0.02 0.29 0.00 3.53 0.00 0.00 57.97 61.93 1dch h PHE 49 Cb 0.30 0.26 -0.04 0.00 2.79 0.00 0.00 35.95 39.26 1dch h PHE 49 CO 0.02 -0.49 0.75 0.52 -2.23 0.00 0.00 178.31 176.88 1dch h MET 50 N -0.87 0.00 0.26 1.11 2.86 -1.42 -2.33 114.93 114.54 1dch h MET 50 Ca -0.09 0.00 -0.01 0.00 -2.06 0.00 0.00 59.70 57.54 1dch h MET 50 Cb 0.65 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.31 1dch h MET 50 CO 0.14 0.00 -0.13 1.15 1.06 0.00 0.00 176.91 179.14 1dch h THR 51 N 0.00 0.33 -0.29 2.22 2.02 -1.44 -0.68 112.91 115.08 1dch h THR 51 Ca 0.47 -0.87 0.07 0.00 0.77 0.00 0.00 66.41 66.84 1dch h THR 51 Cb 1.97 0.56 -0.01 0.00 -1.74 0.00 0.00 68.15 68.93 1dch h THR 51 CO -0.00 0.09 0.20 0.03 0.37 0.00 0.00 175.52 176.21 1dch h ARG 52 N -1.02 0.10 -0.19 6.66 3.08 -1.33 0.65 114.38 122.32 1dch h ARG 52 Ca -0.04 -0.01 -0.17 0.00 0.07 0.00 0.00 59.98 59.84 1dch h ARG 52 Cb 0.41 -0.02 -0.00 0.00 0.08 0.00 0.00 29.97 30.44 1dch h ARG 52 CO 0.06 0.06 -0.56 0.28 -1.07 0.00 0.00 179.97 178.74 1dch h VAL 53 N 0.10 1.32 0.00 2.04 2.07 -1.56 -1.76 116.25 118.45 1dch h VAL 53 Ca 0.13 -1.80 -0.22 0.00 0.82 0.00 0.00 66.70 65.63 1dch h VAL 53 Cb 0.41 1.77 -0.03 0.00 -1.52 0.00 0.00 31.29 31.91 1dch h VAL 53 CO -0.01 0.56 -1.11 0.00 0.02 0.00 0.00 177.57 177.03 1dch h ALA 54 N 0.92 0.41 -0.03 1.67 0.00 0.91 -0.30 119.26 122.85 1dch h ALA 54 Ca 0.01 -0.99 0.01 0.00 0.00 0.00 0.00 54.91 53.93 1dch h ALA 54 Cb 1.11 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.84 1dch h ALA 54 CO 0.11 1.29 0.05 -0.07 0.00 0.00 0.00 179.25 180.63 1dch h LEU 55 N 0.00 0.00 0.00 0.00 3.38 0.32 -2.19 115.31 116.82 1dch h LEU 55 Ca -0.05 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.92 1dch h LEU 55 Cb 1.81 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.56 1dch h LEU 55 CO 0.12 0.00 -1.02 0.00 0.09 0.00 0.00 178.44 177.64 1dch n GLN 56 N -3.52 1.14 0.12 1.13 1.13 -0.68 -3.75 117.38 112.95 1dch n GLN 56 Ca -0.02 -0.03 -0.00 0.00 -1.94 0.00 0.00 57.00 55.00 1dch n GLN 56 Cb 0.13 -1.34 -0.00 0.00 0.11 0.00 0.00 30.24 29.14 1dch n GLN 56 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1dch h ALA 57 N 2.28 0.59 0.02 -1.58 0.00 -0.40 -3.03 119.26 117.14 1dch h ALA 57 Ca 0.00 -0.59 -0.04 0.00 0.00 0.00 0.00 54.91 54.28 1dch h ALA 57 Cb 0.49 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.18 1dch h ALA 57 CO 0.00 0.82 -0.15 0.93 0.00 0.00 0.00 179.25 180.84 1dch h GLU 58 N 0.00 0.07 -0.85 0.00 4.39 -1.74 0.45 114.58 116.91 1dch h GLU 58 Ca -0.01 -0.10 0.22 0.00 0.34 0.00 0.00 59.36 59.81 1dch h GLU 58 Cb 1.48 0.03 -0.14 0.00 -0.10 0.00 0.00 28.75 30.02 1dch h GLU 58 CO 0.08 0.98 0.12 -0.22 -1.16 0.00 0.00 179.01 178.81 1dch h LYS 59 N -0.78 0.14 0.00 2.33 3.64 -1.65 0.49 116.57 120.74 1dch h LYS 59 Ca -0.02 -0.01 -0.17 0.00 -1.27 0.00 0.00 60.65 59.18 1dch h LYS 59 Cb 1.05 -0.03 -0.03 0.00 -0.41 0.00 0.00 32.23 32.81 1dch h LYS 59 CO 0.03 0.09 -1.14 -0.07 -2.27 0.00 0.00 179.45 176.09 1dch h LEU 60 N 0.14 0.00 -0.97 5.20 3.38 -1.63 -3.48 115.31 117.95 1dch h LEU 60 Ca 0.51 0.00 -0.31 0.00 0.09 0.00 0.00 57.88 58.17 1dch h LEU 60 Cb 0.99 0.00 0.11 0.00 0.09 0.00 0.00 40.66 41.85 1dch h LEU 60 CO -0.70 0.64 -0.55 -0.67 0.09 0.00 0.00 178.44 177.25 1dch n ASP 61 N -3.05 -5.12 -3.53 -0.43 2.03 0.14 -4.99 116.55 101.60 1dch n ASP 61 Ca -0.06 -0.44 -0.29 0.00 0.52 0.00 0.00 54.79 54.52 1dch n ASP 61 Cb 0.84 -4.12 -0.14 0.00 -0.72 0.00 0.00 41.12 36.99 1dch n ASP 61 CO 0.00 0.00 0.00 -2.28 -1.92 0.00 0.00 177.20 173.00 1dch s HIS 62 N -3.26 0.62 0.15 -0.67 2.46 -0.12 -5.01 115.29 109.46 1dch s HIS 62 Ca 0.42 -1.28 -0.08 0.00 0.47 0.00 0.00 55.06 54.59 1dch s HIS 62 Cb -0.18 -0.99 -0.06 0.00 -0.13 0.00 0.00 32.58 31.22 1dch s HIS 62 CO 0.58 -0.83 0.44 -1.01 -2.47 0.00 0.00 174.74 171.45 1dch s HIS 63 N 1.61 3.49 0.64 3.88 3.76 -1.26 -4.58 115.29 122.83 1dch s HIS 63 Ca 0.13 0.72 -0.01 0.00 -0.15 0.00 0.00 55.06 55.75 1dch s HIS 63 Cb -0.19 -2.13 0.08 0.00 1.11 0.00 0.00 32.58 31.44 1dch s HIS 63 CO -0.20 0.41 0.90 -1.25 -0.85 0.00 0.00 174.74 173.75 1dch s PRO 64 N -2.49 2.13 -0.42 8.40 0.04 -1.26 -4.93 135.00 136.47 1dch s PRO 64 Ca 0.41 -0.84 -0.06 0.00 0.04 0.00 0.00 61.00 60.55 1dch s PRO 64 Cb -0.12 -2.38 0.10 0.00 0.04 0.00 0.00 34.50 32.14 1dch s PRO 64 CO 0.22 -1.09 0.24 -1.21 0.04 0.00 0.00 177.00 175.20 1dch s GLU 65 N -4.99 2.33 0.43 4.56 2.02 -0.96 -5.01 118.70 117.08 1dch s GLU 65 Ca 0.61 -1.66 0.04 0.00 0.02 0.00 0.00 54.97 53.98 1dch s GLU 65 Cb -0.08 -3.70 -0.02 0.00 0.10 0.00 0.00 34.13 30.43 1dch s GLU 65 CO 0.42 -1.04 0.13 1.67 0.02 0.00 0.00 175.26 176.46 1dch s TRP 66 N 1.29 1.78 -0.30 1.61 -2.14 -1.25 0.69 118.94 120.62 1dch s TRP 66 Ca 0.05 -1.30 -0.13 0.00 2.66 0.00 0.00 56.10 57.39 1dch s TRP 66 Cb -0.24 -1.19 0.16 0.00 -3.10 0.00 0.00 33.47 29.10 1dch s TRP 66 CO -0.01 -0.29 0.87 0.12 -2.66 0.00 0.00 176.95 174.97 1dch s PHE 67 N -3.15 -0.93 0.05 1.66 5.36 -0.87 -4.90 117.98 115.20 1dch s PHE 67 Ca 0.21 1.52 0.06 0.00 -0.96 0.00 0.00 56.93 57.76 1dch s PHE 67 Cb 0.02 0.53 -0.04 0.00 -0.34 0.00 0.00 43.02 43.19 1dch s PHE 67 CO 0.14 -0.47 -0.11 1.21 -1.46 0.00 0.00 175.22 174.53 1dch s ASN 68 N 2.64 4.29 -0.00 6.13 3.84 -1.26 -1.62 114.94 128.96 1dch s ASN 68 Ca -0.02 -0.32 -0.00 0.00 0.21 0.00 0.00 52.86 52.73 1dch s ASN 68 Cb -0.09 -0.85 -0.00 0.00 -0.55 0.00 0.00 41.25 39.77 1dch s ASN 68 CO -0.18 0.24 -0.00 0.52 -2.79 0.00 0.00 177.10 174.88 1dch n VAL 69 N 1.24 0.04 0.00 -5.21 0.31 -1.05 -5.01 118.33 108.65 1dch n VAL 69 Ca -0.15 0.18 0.00 0.00 -0.01 0.00 0.00 64.34 64.37 1dch n VAL 69 Cb 0.52 -1.20 0.00 0.00 -0.91 0.00 0.00 33.84 32.25 1dch n VAL 69 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1dch n TYR 70 N -2.54 0.00 -2.42 3.52 9.36 -1.26 -4.96 117.16 118.86 1dch n TYR 70 Ca -0.00 0.00 -0.27 0.00 3.32 0.00 0.00 57.90 60.95 1dch n TYR 70 Cb 0.01 0.06 0.00 0.00 -0.63 0.00 0.00 39.34 38.78 1dch n TYR 70 CO 0.00 0.00 0.00 0.27 0.22 0.00 0.00 176.86 177.35 1dch n ASN 71 N -1.41 4.74 -3.74 2.98 6.94 -1.26 -4.41 115.26 119.10 1dch n ASN 71 Ca 0.00 -3.72 -0.12 0.00 -0.02 0.00 0.00 54.58 50.71 1dch n ASN 71 Cb 0.00 -0.45 -0.12 0.00 -2.36 0.00 0.00 39.78 36.85 1dch n ASN 71 CO 0.00 0.00 0.00 -1.59 -1.03 0.00 0.00 177.26 174.64 1dch s LYS 72 N -3.55 0.26 -0.05 -3.83 -2.85 -1.26 -0.44 119.74 108.01 1dch s LYS 72 Ca 0.48 0.53 0.02 0.00 -1.00 0.00 0.00 55.97 56.01 1dch s LYS 72 Cb 0.40 -0.05 0.01 0.00 -2.06 0.00 0.00 37.83 36.14 1dch s LYS 72 CO -0.16 -0.13 -0.11 0.54 0.10 0.00 0.00 175.35 175.59 1dch s VAL 73 N 1.02 1.01 -0.22 1.79 0.11 0.11 -2.53 120.40 121.69 1dch s VAL 73 Ca -0.07 -0.42 -0.06 0.00 -2.93 0.00 0.00 61.98 58.49 1dch s VAL 73 Cb -0.08 -0.92 -0.03 0.00 -1.53 0.00 0.00 36.38 33.82 1dch s VAL 73 CO -0.07 0.32 0.04 -1.00 -3.33 0.00 0.00 175.10 171.06 1dch s HIS 74 N 0.57 3.10 -0.23 1.54 3.76 -0.64 0.38 115.29 123.78 1dch s HIS 74 Ca -0.11 -0.32 -0.03 0.00 -0.15 0.00 0.00 55.06 54.45 1dch s HIS 74 Cb -0.14 -2.15 0.00 0.00 1.11 0.00 0.00 32.58 31.40 1dch s HIS 74 CO 0.03 -0.20 -0.05 0.42 -0.85 0.00 0.00 174.74 174.08 1dch s ILE 75 N 1.11 3.20 -0.21 0.60 1.01 0.01 -2.05 121.20 124.87 1dch s ILE 75 Ca 0.04 -0.64 -0.05 0.00 0.00 0.00 0.00 60.65 60.00 1dch s ILE 75 Cb -0.14 -2.49 -0.02 0.00 0.01 0.00 0.00 42.46 39.82 1dch s ILE 75 CO 0.03 0.37 -0.00 -0.89 0.00 0.00 0.00 174.94 174.45 1dch s THR 76 N 1.44 3.85 0.11 2.92 2.01 0.22 -2.94 115.64 123.25 1dch s THR 76 Ca 0.05 -0.34 0.08 0.00 0.31 0.00 0.00 61.69 61.79 1dch s THR 76 Cb -0.15 -2.75 -0.04 0.00 0.01 0.00 0.00 72.50 69.57 1dch s THR 76 CO -0.04 0.42 -0.16 -0.76 -0.69 0.00 0.00 174.62 173.39 1dch s LEU 77 N 1.17 2.78 0.00 4.42 1.43 -0.52 -2.27 118.68 125.69 1dch s LEU 77 Ca 0.03 -0.50 0.00 0.00 -1.03 0.00 0.00 54.13 52.63 1dch s LEU 77 Cb -0.14 -1.62 0.00 0.00 0.03 0.00 0.00 46.19 44.46 1dch s LEU 77 CO 0.01 0.19 0.00 -0.24 0.23 0.00 0.00 176.35 176.54 1dch n SER 78 N 0.85 0.00 -4.76 2.29 2.88 -1.26 -1.15 113.62 112.47 1dch n SER 78 Ca -0.15 0.00 -0.41 0.00 -1.33 0.00 0.00 58.87 56.98 1dch n SER 78 Cb 0.53 0.00 -0.02 0.00 -0.75 0.00 0.00 64.21 63.96 1dch n SER 78 CO 0.00 0.00 0.00 -0.89 -1.23 0.00 0.00 175.04 172.92 1dch s THR 79 N 0.00 2.86 -0.14 2.46 2.01 1.29 -4.76 115.64 119.37 1dch s THR 79 Ca 0.00 0.81 -0.28 0.00 0.31 0.00 0.00 61.69 62.53 1dch s THR 79 Cb 0.00 -3.52 -0.25 0.00 0.01 0.00 0.00 72.50 68.74 1dch s THR 79 CO 0.00 0.17 0.71 -0.74 -0.69 0.00 0.00 174.62 174.07 1dch h HIS 80 N 4.08 0.03 -0.90 4.92 -0.00 -1.94 -0.76 115.15 120.57 1dch h HIS 80 Ca -0.47 -0.02 0.08 0.00 -0.00 0.00 0.00 60.37 59.95 1dch h HIS 80 Cb 1.22 -0.00 -0.11 0.00 -0.00 0.00 0.00 27.41 28.52 1dch h HIS 80 CO 0.58 1.08 -0.53 -1.91 -0.00 0.00 0.00 177.93 177.15 1dch n GLU 81 N -4.56 -0.40 -0.86 5.26 2.13 -1.26 -2.09 120.64 118.86 1dch n GLU 81 Ca -0.13 1.36 -0.04 0.00 0.66 0.00 0.00 57.16 59.01 1dch n GLU 81 Cb 0.53 -2.01 0.25 0.00 0.27 0.00 0.00 31.44 30.48 1dch n GLU 81 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1dch n ALA 83 N -0.61 -1.13 -3.54 0.00 0.00 -0.76 -4.81 120.51 109.66 1dch n ALA 83 Ca 0.37 -0.20 -0.00 0.00 0.00 0.00 0.00 53.44 53.60 1dch n ALA 83 Cb 1.22 -1.69 0.02 0.00 0.00 0.00 0.00 19.45 19.00 1dch n ALA 83 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1dch n GLY 84 N -1.22 1.28 3.60 0.00 0.00 -0.37 -4.76 105.19 103.73 1dch n GLY 84 Ca 0.02 -1.18 -0.43 0.00 0.00 0.00 0.00 46.02 44.44 1dch n GLY 84 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1dch s LEU 85 N 0.00 3.59 0.32 0.99 2.96 -1.21 0.40 118.68 125.72 1dch s LEU 85 Ca 0.11 0.45 0.07 0.00 -0.22 0.00 0.00 54.13 54.54 1dch s LEU 85 Cb -0.03 -3.47 -0.03 0.00 0.50 0.00 0.00 46.19 43.16 1dch s LEU 85 CO 0.08 -1.34 0.25 -0.94 -1.32 0.00 0.00 176.35 173.08 1dch s SER 86 N 2.82 5.26 0.61 3.68 1.04 -1.26 -0.33 113.70 125.53 1dch s SER 86 Ca 0.49 -0.48 0.28 0.00 0.48 0.00 0.00 55.95 56.73 1dch s SER 86 Cb -0.08 -1.03 1.46 0.00 0.10 0.00 0.00 66.02 66.46 1dch s SER 86 CO 0.31 -0.28 1.86 1.05 0.98 0.00 0.00 173.24 177.16 1dch h GLU 87 N 1.34 0.00 -0.36 4.02 9.09 -1.96 -2.44 114.58 124.27 1dch h GLU 87 Ca -0.45 0.00 0.08 0.00 0.05 0.00 0.00 59.36 59.03 1dch h GLU 87 Cb 1.25 0.00 -0.08 0.00 -1.65 0.00 0.00 28.75 28.27 1dch h GLU 87 CO 0.59 0.00 -0.15 -0.09 0.05 0.00 0.00 179.01 179.41 1dch h ARG 88 N 0.00 -0.08 0.00 1.06 2.43 -1.93 0.08 114.38 115.94 1dch h ARG 88 Ca 0.16 0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.33 1dch h ARG 88 Cb 1.12 0.02 0.00 0.00 -0.42 0.00 0.00 29.97 30.69 1dch h ARG 88 CO -0.00 -0.06 -0.12 -0.25 -1.51 0.00 0.00 179.97 178.03 1dch n ASP 89 N -5.34 0.43 -0.06 -3.80 8.00 -0.92 -2.65 116.55 112.22 1dch n ASP 89 Ca 0.01 0.41 -0.12 0.00 0.71 0.00 0.00 54.79 55.80 1dch n ASP 89 Cb 0.25 -0.46 -0.06 0.00 -0.02 0.00 0.00 41.12 40.83 1dch n ASP 89 CO 0.00 0.00 0.00 0.40 -0.39 0.00 0.00 177.20 177.21 1dch h ILE 90 N 0.00 1.29 0.84 0.53 1.08 -0.98 0.03 117.51 120.30 1dch h ILE 90 Ca 0.00 -1.02 -0.04 0.00 -0.39 0.00 0.00 64.86 63.41 1dch h ILE 90 Cb 0.62 1.61 0.00 0.00 -3.07 0.00 0.00 36.82 35.98 1dch h ILE 90 CO 0.00 0.30 -0.45 0.78 -0.69 0.00 0.00 178.15 178.09 1dch h ASN 91 N 0.03 -1.10 -0.46 1.72 2.35 -1.40 -0.06 115.58 116.67 1dch h ASN 91 Ca 0.04 0.05 0.09 0.00 -0.55 0.00 0.00 56.30 55.93 1dch h ASN 91 Cb 0.48 0.30 -0.08 0.00 0.05 0.00 0.00 38.32 39.08 1dch h ASN 91 CO 0.02 -0.73 -0.05 0.25 -1.65 0.00 0.00 177.43 175.27 1dch h LEU 92 N -1.18 -0.30 -1.59 1.61 5.85 -1.58 -1.29 115.31 116.83 1dch h LEU 92 Ca -0.11 0.12 -0.04 0.00 0.84 0.00 0.00 57.88 58.69 1dch h LEU 92 Cb 0.93 0.23 -0.01 0.00 0.37 0.00 0.00 40.66 42.18 1dch h LEU 92 CO 0.16 -0.11 -0.11 0.00 -0.34 0.00 0.00 178.44 178.04 1dch h ALA 93 N 1.43 1.66 -0.56 1.25 0.00 -0.55 0.45 119.26 122.93 1dch h ALA 93 Ca 0.22 -0.15 -0.04 0.00 0.00 0.00 0.00 54.91 54.94 1dch h ALA 93 Cb 0.34 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.05 1dch h ALA 93 CO -0.42 0.25 0.19 0.77 0.00 0.00 0.00 179.25 180.03 1dch h SER 94 N 0.12 0.81 0.05 0.00 0.02 -0.27 -2.09 113.55 112.20 1dch h SER 94 Ca 0.03 -0.20 -0.00 0.00 -0.84 0.00 0.00 61.79 60.77 1dch h SER 94 Cb 0.28 -0.21 0.00 0.00 0.14 0.00 0.00 62.40 62.61 1dch h SER 94 CO 0.02 0.79 -0.03 0.15 -1.14 0.00 0.00 176.83 176.62 1dch h PHE 95 N 0.78 -0.07 -0.96 3.45 3.04 0.86 0.32 116.94 124.37 1dch h PHE 95 Ca 0.18 -0.00 0.29 0.00 3.98 0.00 0.00 57.97 62.42 1dch h PHE 95 Cb 0.26 0.02 -0.15 0.00 2.56 0.00 0.00 35.95 38.65 1dch h PHE 95 CO 0.02 0.11 0.46 0.82 -2.02 0.00 0.00 178.31 177.69 1dch h ILE 96 N -0.23 0.31 0.05 1.41 2.04 -0.63 -0.25 117.51 120.21 1dch h ILE 96 Ca -0.01 -0.10 -0.00 0.00 1.00 0.00 0.00 64.86 65.75 1dch h ILE 96 Cb 0.21 -0.01 0.00 0.00 -0.74 0.00 0.00 36.82 36.28 1dch h ILE 96 CO 0.01 0.05 -0.02 -0.33 0.00 0.00 0.00 178.15 177.86 1dch h GLU 97 N 0.30 -0.06 -0.51 2.37 4.39 -0.67 -2.65 114.58 117.74 1dch h GLU 97 Ca 0.67 0.00 0.15 0.00 0.34 0.00 0.00 59.36 60.52 1dch h GLU 97 Cb 1.46 0.01 -0.02 0.00 -0.10 0.00 0.00 28.75 30.11 1dch h GLU 97 CO -0.62 0.47 0.68 0.37 -1.16 0.00 0.00 179.01 178.75 1dch h GLN 98 N -0.64 0.00 0.08 2.33 5.75 0.77 -2.29 115.11 121.10 1dch h GLN 98 Ca -0.01 0.00 -0.31 0.00 -0.15 0.00 0.00 58.65 58.18 1dch h GLN 98 Cb 0.56 0.00 -0.02 0.00 1.07 0.00 0.00 27.48 29.09 1dch h GLN 98 CO 0.01 0.00 -1.70 0.28 -2.65 0.00 0.00 178.83 174.77 1dch n VAL 99 N -3.40 1.69 0.16 2.39 0.31 -0.63 -3.57 118.33 115.28 1dch n VAL 99 Ca 0.10 -0.40 0.18 0.00 -0.01 0.00 0.00 64.34 64.21 1dch n VAL 99 Cb 0.87 -1.86 0.79 0.00 -0.91 0.00 0.00 33.84 32.72 1dch n VAL 99 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1dch h ALA 100 N -0.16 1.96 0.00 3.52 0.00 -1.11 0.11 119.26 123.58 1dch h ALA 100 Ca -0.39 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.51 1dch h ALA 100 Cb 1.74 0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.55 1dch h ALA 100 CO -0.03 -0.41 0.00 0.28 0.00 0.00 0.00 179.25 179.08 1dch n VAL 101 N -3.85 0.76 0.64 0.00 0.31 -0.99 -0.58 118.33 114.63 1dch n VAL 101 Ca 0.04 0.09 0.09 0.00 -0.01 0.00 0.00 64.34 64.55 1dch n VAL 101 Cb 0.42 -1.01 0.41 0.00 -0.91 0.00 0.00 33.84 32.76 1dch n VAL 101 CO 0.00 0.00 0.00 -1.20 -1.32 0.00 0.00 176.83 174.31 1dch n SER 102 N -2.25 0.05 -3.72 4.52 7.64 0.38 -4.60 113.62 115.65 1dch n SER 102 Ca 0.03 0.51 -0.28 0.00 1.01 0.00 0.00 58.87 60.14 1dch n SER 102 Cb 0.28 -0.52 -0.11 0.00 -1.01 0.00 0.00 64.21 62.85 1dch n SER 102 CO 0.00 0.00 0.00 0.23 -3.01 0.00 0.00 175.04 172.26 1dch n MET 103 N -1.55 1.53 0.00 1.43 2.81 0.26 -5.15 117.12 116.44 1dch n MET 103 Ca 0.04 -4.20 0.00 0.00 -1.81 0.00 0.00 57.70 51.74 1dch n MET 103 Cb 0.23 -2.12 0.00 0.00 -0.71 0.00 0.00 33.22 30.62 1dch n MET 103 CO 0.00 0.00 0.00 -2.37 1.51 0.00 0.00 175.97 175.11